(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

C14H18N2O4S — CID 71475860

IUPAC(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O4S/c1-10-5-7-12(8-6-10)21(19,20)15-14(18)13-4-3-9-16(13)11(2)17/h5-8,13H,3-4,9H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyFPRXAVGQCFCFRE-ZDUSSCGKSA-N
MW310.38 g/mol
LogP0.81
Rot. Bonds3

About (2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide

(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 71475860) has the molecular formula C14H18N2O4S and a molecular weight of 310.38 g/mol. Its IUPAC name is (2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID71475860
Molecular FormulaC14H18N2O4S
Molecular Weight310.38 g/mol
Exact Mass310.10
IUPAC Name(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C14H18N2O4S/c1-10-5-7-12(8-6-10)21(19,20)15-14(18)13-4-3-9-16(13)11(2)17/h5-8,13H,3-4,9H2,1-2H3,(H,15,18)/t13-/m0/s1
InChIKeyFPRXAVGQCFCFRE-ZDUSSCGKSA-N
XLogP0.81
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
(4aS,8aR)-N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 27055457
N-(4-methylphenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 43835525
1-acetyl-N-[(3-methyl-2-oxo-1,3-benzothiazol-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 132771327
N-(4-methylphenyl)sulfonylcyclopropanecarboxamide
CID 46179849
1-acetyl-N-[(2-ethyl-3-oxo-4H-1,4-benzoxazin-6-yl)sulfonyl]pyrrolidine-2-carboxamide
CID 132765953
2-methyl-N-(4-methylphenyl)sulfonylpiperidine-1-carboxamide
CID 3434753
(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 99833431
N-(4-methylphenyl)sulfonyl-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 110874698
N-(4-methylphenyl)sulfonyl-2,6-dioxocyclohexane-1-carboxamide
CID 86016968
benzyl (2R)-2-(benzenesulfonylcarbamoyl)pyrrolidine-1-carboxylate
CID 89441344
N-butan-2-yl-1-[3-[(4-methylphenyl)sulfonylamino]benzoyl]pyrrolidine-2-carboxamide
CID 46375219

Frequently Asked Questions

What is the IUPAC name of (2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 71475860) is (2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is CC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is FPRXAVGQCFCFRE-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18N2O4S/c1-10-5-7-12(8-6-10)21(19,20)15-14(18)13-4-3-9-16(13)11(2)17/h5-8,13H,3-4,9H2,1-2H3,(H,15,18)/t13-/m0/s1.
What are the key properties of (2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide?
(2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-acetyl-N-(4-methylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 71475860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).